4-butyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-butyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-butyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-butyl-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-butyl-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4

InChI

InChI=1S/C26H26N6O/c1-3-4-5-19-7-9-20(10-8-19)25(33)30-22-11-6-18(2)24(14-22)32-26-29-13-12-23(31-26)21-15-27-17-28-16-21/h6-17H,3-5H2,1-2H3,(H,30,33)(H,29,31,32)